4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C9H16FN — CID 117205523

IUPAC4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=C(CF)CC1
InChIInChI=1S/C9H16FN/c1-8(2)11-5-3-9(7-10)4-6-11/h3,8H,4-7H2,1-2H3
InChIKeyXJIVWEPTUHDYDD-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds2

About 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 117205523) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID117205523
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=C(CF)CC1
InChIInChI=1S/C9H16FN/c1-8(2)11-5-3-9(7-10)4-6-11/h3,8H,4-7H2,1-2H3
InChIKeyXJIVWEPTUHDYDD-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
CID 89168015
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 117205523) is 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)N1CC=C(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is XJIVWEPTUHDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)11-5-3-9(7-10)4-6-11/h3,8H,4-7H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).